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Details

Stereochemistry ABSOLUTE
Molecular Formula C43H66N12O12S2
Molecular Weight 1007.187
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MESOTOCIN

SMILES

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N2)C(=O)NCC(N)=O

InChI

InChIKey=SILDPWPVKZETMP-AMUMSSSMSA-N
InChI=1S/C43H66N12O12S2/c1-5-21(3)34(41(65)48-18-33(47)59)54-40(64)30-8-7-15-55(30)43(67)29-20-69-68-19-25(44)36(60)50-27(16-23-9-11-24(56)12-10-23)39(63)53-35(22(4)6-2)42(66)49-26(13-14-31(45)57)37(61)51-28(17-32(46)58)38(62)52-29/h9-12,21-22,25-30,34-35,56H,5-8,13-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,65)(H,49,66)(H,50,60)(H,51,61)(H,52,62)(H,53,63)(H,54,64)/t21-,22-,25-,26-,27-,28-,29-,30-,34-,35-/m0/s1

HIDE SMILES / InChI

Molecular Formula C43H66N12O12S2
Molecular Weight 1007.187
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:11:35 GMT 2025
Edited
by admin
on Mon Mar 31 23:11:35 GMT 2025
Record UNII
3Y635KQT1J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-ISOLEUCINE OXYTOCIN
Preferred Name English
MESOTOCIN
WHO-DD  
Common Name English
OXYTOCIN, 8-L-ISOLEUCINE-
Common Name English
Mesotocin [WHO-DD]
Common Name English
Code System Code Type Description
CAS
362-39-0
Created by admin on Mon Mar 31 23:11:35 GMT 2025 , Edited by admin on Mon Mar 31 23:11:35 GMT 2025
PRIMARY
PUBCHEM
92135813
Created by admin on Mon Mar 31 23:11:35 GMT 2025 , Edited by admin on Mon Mar 31 23:11:35 GMT 2025
PRIMARY
FDA UNII
3Y635KQT1J
Created by admin on Mon Mar 31 23:11:35 GMT 2025 , Edited by admin on Mon Mar 31 23:11:35 GMT 2025
PRIMARY